3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylthio]-4-(4-ethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(4-tert-butylphenyl)-4-p-phenetyl-1,2,4-triazole Formula: C31H37N3OS MolecularWeight: 499.70998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H37N3OS/c1-8-35-27-19-17-26(18-20-27)34-28(23-11-15-25(16-12-23)31(5,6)7)32-33-29(34)36-21-22-9-13-24(14-10-22)30(2,3)4/h9-20H,8,21H2,1-7H3